1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine

C15H27N3 — CID 80603738

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
SMILESCCc1cc(CC2(N)CCCCCCC2)n(C)n1
InChIInChI=1S/C15H27N3/c1-3-13-11-14(18(2)17-13)12-15(16)9-7-5-4-6-8-10-15/h11H,3-10,12,16H2,1-2H3
InChIKeyRGFAOJDKNBJQMB-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.97
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine (PubChem CID 80603738) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
PubChem CID80603738
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
SMILESCCc1cc(CC2(N)CCCCCCC2)n(C)n1
InChIInChI=1S/C15H27N3/c1-3-13-11-14(18(2)17-13)12-15(16)9-7-5-4-6-8-10-15/h11H,3-10,12,16H2,1-2H3
InChIKeyRGFAOJDKNBJQMB-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769741
2-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 79117652
1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 79066115
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750456
3-amino-1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 80561480
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
1-[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]-N-methylethanamine
CID 106797650
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 113294619
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999439

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine (CID 80603738) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine is CCc1cc(CC2(N)CCCCCCC2)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine?
The InChIKey is RGFAOJDKNBJQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-13-11-14(18(2)17-13)12-15(16)9-7-5-4-6-8-10-15/h11H,3-10,12,16H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine is sourced from PubChem (CID 80603738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).